N-[(3,4-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide

C20H20FN3O3 — CID 110412991

IUPACN-[(3,4-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(C)n(-c3ccccc3F)n2)cc1OC
InChIInChI=1S/C20H20FN3O3/c1-13-10-16(23-24(13)17-7-5-4-6-15(17)21)20(25)22-12-14-8-9-18(26-2)19(11-14)27-3/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeyBHHODVSDZCOHGQ-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.27
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide (PubChem CID 110412991) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide
PubChem CID110412991
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(C)n(-c3ccccc3F)n2)cc1OC
InChIInChI=1S/C20H20FN3O3/c1-13-10-16(23-24(13)17-7-5-4-6-15(17)21)20(25)22-12-14-8-9-18(26-2)19(11-14)27-3/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeyBHHODVSDZCOHGQ-UHFFFAOYSA-N
XLogP3.27
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 110372894
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)pyrazole-3-carboxamide
CID 110372802
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 110372761
N-(3-acetamidopropyl)-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 110630786
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 9403965
N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189485
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55780988
N-[(3-carbamoylphenyl)methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 32637022
N-[(3,4-dimethoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51261874
N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373063
5-(2,6-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109193759
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51143128

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide (CID 110412991) is N-[(3,4-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide is COc1ccc(CNC(=O)c2cc(C)n(-c3ccccc3F)n2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide?
The InChIKey is BHHODVSDZCOHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-13-10-16(23-24(13)17-7-5-4-6-15(17)21)20(25)22-12-14-8-9-18(26-2)19(11-14)27-3/h4-11H,12H2,1-3H3,(H,22,25).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110412991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).